N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

C44H29NO — CID 177130990

IUPACN,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4)c4cccc5c4oc4ccc6c(-c7ccccc7)cccc6c45)ccc3c2)cc1
InChIInChI=1S/C44H29NO/c1-4-12-30(13-5-1)32-22-23-34-29-36(25-24-33(34)28-32)45(35-16-8-3-9-17-35)41-21-11-20-40-43-39-19-10-18-37(31-14-6-2-7-15-31)38(39)26-27-42(43)46-44(40)41/h1-29H
InChIKeyCYRSRBNKPKBZEQ-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine

N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 177130990) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID177130990
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4)c4cccc5c4oc4ccc6c(-c7ccccc7)cccc6c45)ccc3c2)cc1
InChIInChI=1S/C44H29NO/c1-4-12-30(13-5-1)32-22-23-34-29-36(25-24-33(34)28-32)45(35-16-8-3-9-17-35)41-21-11-20-40-43-39-19-10-18-37(31-14-6-2-7-15-31)38(39)26-27-42(43)46-44(40)41/h1-29H
InChIKeyCYRSRBNKPKBZEQ-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N,8-diphenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 177130769
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
CID 177080749
10-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 177130730
N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808221
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 177130990) is N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc3cc(N(c4ccccc4)c4cccc5c4oc4ccc6c(-c7ccccc7)cccc6c45)ccc3c2)cc1.
What is the InChIKey of N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is CYRSRBNKPKBZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-4-12-30(13-5-1)32-22-23-34-29-36(25-24-33(34)28-32)45(35-16-8-3-9-17-35)41-21-11-20-40-43-39-19-10-18-37(31-14-6-2-7-15-31)38(39)26-27-42(43)46-44(40)41/h1-29H.
What are the key properties of N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine?
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 177130990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).